CID 105872

Diisotridecyl phenyl phosphite

Structural Information

Molecular Formula
C32H59O3P
SMILES
CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OC1=CC=CC=C1
InChI
InChI=1S/C32H59O3P/c1-30(2)24-18-13-9-5-7-11-15-22-28-33-36(35-32-26-20-17-21-27-32)34-29-23-16-12-8-6-10-14-19-25-31(3)4/h17,20-21,26-27,30-31H,5-16,18-19,22-25,28-29H2,1-4H3
InChIKey
ZCEURBBJHMJEOG-UHFFFAOYSA-N
Compound name
bis(11-methyldodecyl) phenyl phosphite
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

522.42017 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.42745 253.7
[M+Na]+ 545.40939 249.6
[M-H]- 521.41289 251.3
[M+NH4]+ 540.45399 230.9
[M+K]+ 561.38333 244.9
[M+H-H2O]+ 505.41743 240.6
[M+HCOO]- 567.41837 237.6
[M+CH3COO]- 581.43402 254.3
[M+Na-2H]- 543.39484 241.5
[M]+ 522.41962 265.5
[M]- 522.42072 265.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe